SCHEMBL4876374

SCHEMBL4876374

CCOC(=O)c1c(C(F)(F)F)ncc(C#N)c1N1CCC(CC(=O)NS(=O)(=O)CCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.47
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CHRM2 P08172 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3600537 0.84 P2RY12 (0.61) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL5012431 0.80 P2RY12 (0.54) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4736388 0.78 P2RY12 (0.73) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3586432 0.76 P2RY12 (0.62) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4785763 0.76 P2RY12 (0.70) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4874230 0.72 P2RY12 (0.54) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4737004 0.71 P2RY12 (0.75) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL5055303 0.70 P2RY12 (0.44) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4356065 0.68 ALDH1A1 (0.55) P2RY12CYP3A4CYP2C9ALDH1A1CYP2C19
SCHEMBL4872894 0.68 P2RY12 (0.56) P2RY12CYP3A4CYP2C9CHRM2DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP3A4 140/4885CYP2C9 96/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.